SCHEMBL7637089

SCHEMBL7637089

COC(=O)C(CCCOc1ccccc1)C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.53
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 2/20 0.48
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7640034 0.95 TDP1 (0.58) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7636953 0.94 TDP1 (0.57) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7636485 0.94 TDP1 (0.57) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL29045178 0.92 TDP1 (0.74) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7638974 0.87 TDP1 (0.86) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7640173 0.85 TDP1 (0.61) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7642347 0.85 KMT2A (0.50) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL7640766 0.84 TDP1 (0.63) TDP1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7638526 0.82 TDP1 (0.78) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL7639040 0.82 MEN1 (0.61) TDP1L3MBTL1TSHRALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed